Search results for: simulation of metal spinning
5239 Accelerating Molecular Dynamics Simulations of Electrolytes with Neural Network: Bridging the Gap between Ab Initio Molecular Dynamics and Classical Molecular Dynamics
Authors: Po-Ting Chen, Santhanamoorthi Nachimuthu, Jyh-Chiang Jiang
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Classical molecular dynamics (CMD) simulations are highly efficient for material simulations but have limited accuracy. In contrast, ab initio molecular dynamics (AIMD) provides high precision by solving the Kohn–Sham equations yet requires significant computational resources, restricting the size of systems and time scales that can be simulated. To address these challenges, we employed NequIP, a machine learning model based on an E(3)-equivariant graph neural network, to accelerate molecular dynamics simulations of a 1M LiPF6 in EC/EMC (v/v 3:7) for Li battery applications. AIMD calculations were initially conducted using the Vienna Ab initio Simulation Package (VASP) to generate highly accurate atomic positions, forces, and energies. This data was then used to train the NequIP model, which efficiently learns from the provided data. NequIP achieved AIMD-level accuracy with significantly less training data. After training, NequIP was integrated into the LAMMPS software to enable molecular dynamics simulations of larger systems over longer time scales. This method overcomes the computational limitations of AIMD while improving the accuracy limitations of CMD, providing an efficient and precise computational framework. This study showcases NequIP’s applicability to electrolyte systems, particularly for simulating the dynamics of LiPF6 ionic mixtures. The results demonstrate substantial improvements in both computational efficiency and simulation accuracy, highlighting the potential of machine learning models to enhance molecular dynamics simulations.Keywords: lithium-ion batteries, electrolyte simulation, molecular dynamics, neural network
Procedia PDF Downloads 145238 Design of the Compliant Mechanism of a Biomechanical Assistive Device for the Knee
Authors: Kevin Giraldo, Juan A. Gallego, Uriel Zapata, Fanny L. Casado
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Compliant mechanisms are designed to deform in a controlled manner in response to external forces, utilizing the flexibility of their components to store potential elastic energy during deformation, gradually releasing it upon returning to its original form. This article explores the design of a knee orthosis intended to assist users during stand-up motion. The orthosis makes use of a compliant mechanism to balance the user’s weight, thereby minimizing the strain on leg muscles during standup motion. The primary function of the compliant mechanism is to store and exchange potential energy, so when coupled with the gravitational potential of the user, the total potential energy variation is minimized. The design process for the semi-rigid knee orthosis involved material selection and the development of a numerical model for the compliant mechanism seen as a spring. Geometric properties are obtained through the numerical modeling of the spring once the desired stiffness and safety factor values have been attained. Subsequently, a 3D finite element analysis was conducted. The study demonstrates a strong correlation between the maximum stress in the mathematical model (250.22 MPa) and the simulation (239.8 MPa), with a 4.16% error. Both analyses safety factors: 1.02 for the mathematical approach and 1.1 for the simulation, with a consistent 7.84% margin of error. The spring’s stiffness, calculated at 90.82 Nm/rad analytically and 85.71 Nm/rad in the simulation, exhibits a 5.62% difference. These results suggest significant potential for the proposed device in assisting patients with knee orthopedic restrictions, contributing to ongoing efforts in advancing the understanding and treatment of knee osteoarthritis.Keywords: biomechanics, complaint mechanisms, gonarthrosis, orthoses
Procedia PDF Downloads 345237 Formalizing a Procedure for Generating Uncertain Resource Availability Assumptions Based on Real Time Logistic Data Capturing with Auto-ID Systems for Reactive Scheduling
Authors: Lars Laußat, Manfred Helmus, Kamil Szczesny, Markus König
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As one result of the project “Reactive Construction Project Scheduling using Real Time Construction Logistic Data and Simulation”, a procedure for using data about uncertain resource availability assumptions in reactive scheduling processes has been developed. Prediction data about resource availability is generated in a formalized way using real-time monitoring data e.g. from auto-ID systems on the construction site and in the supply chains. The paper focuses on the formalization of the procedure for monitoring construction logistic processes, for the detection of disturbance and for generating of new and uncertain scheduling assumptions for the reactive resource constrained simulation procedure that is and will be further described in other papers.Keywords: auto-ID, construction logistic, fuzzy, monitoring, RFID, scheduling
Procedia PDF Downloads 5125236 A Near Ambient Pressure X-Ray Photoelectron Spectroscopy Study on Platinum Nanoparticles Supported on Zr-Based Metal Organic Frameworks
Authors: Reza Vakili, Xiaolei Fan, Alex Walton
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The first near ambient pressure (NAP)-XPS study of CO oxidation over Pt nanoparticles (NPs) incorporated into Zr-based UiO (UiO for Universitetet i Oslo) MOFs was carried out. For this purpose, the MOF-based Catalysts were prepared by wetness impregnation (WI-PtNPs@UiO-67) and linker design (LD-PtNPs@UiO-67) methods along with PtNPs@ZrO₂ as the control catalyst. Firstly, the as-synthesized catalysts were reduced in situ prior to the operando XPS analysis. The existence of Pt(II) species was proved in UiO-67 by observing Pt 4f core level peaks at a high binding energy of 72.6 ± 0.1 eV. However, by heating the WI-PtNPs@UiO-67 catalyst in situ to 200 °C under vacuum, the higher BE components disappear, leaving only the metallic Pt 4f doublet, confirming the formation of Pt NPs. The complete reduction of LD-PtNPs@UiO-67 is achieved at 250 °C and 1 mbar H₂. To understand the chemical state of Pt NPs in UiO-67 during catalytic turnover, we analyzed the Pt 4f region using operando NAP-XPS in the temperature-programmed measurements (100-260 °C) with reference to PtNPs@ZrO₂ catalyst. CO conversion during NAP-XPS experiments with the stoichiometric mixture shows that LD-PtNPs@UiO-67 has a better CO turnover frequency (TOF, 0.066 s⁻¹ at 260 °C) than the other two (ca. 0.055 s⁻¹). Pt 4f peaks only show one chemical species present at all temperatures, but the core level BE shifts change as a function of reaction temperature, i.e., Pt 4f peak from 71.8 eV at T < 200 °C to 71.2 eV at T > 200 °C. As this higher BE state of 71.8 eV was not observed after in situ reductions of the catalysts and only once the CO/O₂ mixture was introduced, we attribute it to the surface saturation of Pt NPs with adsorbed CO. In general, the quantitative analysis of Pt 4f data from the operando NAP-XPS experiments shows that the surface chemistry of the Pt active phase in the two PtNPs@UiO-67 catalysts is the same, comparable to that of PtNPs@ZrO₂. The observed difference in the catalytic activity can be attributed to the particle sizes of Pt NPs, as well as the dispersion of active phase in the support, which are different in the three catalysts.Keywords: CO oxidation, heterogeneous catalysis, MOFs, Metal Organic Frameworks, NAP-XPS, Near Ambient Pressure X-ray Photoelectron Spectroscopy
Procedia PDF Downloads 1365235 Unsteady Simulation of Burning Off Carbon Deposition in a Coke Oven
Authors: Uzu-Kuei Hsu, Keh-Chin Chang, Joo-Guan Hang, Chang-Hsien Tai
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Carbon Deposits are often occurred inside the industrial coke oven during the coking process. Accumulation of carbon deposits may cause a big issue, which seriously influences the coking operation. The carbon is burning off by injecting fresh air through pipes into coke oven which is an efficient way practically operated in industries. The burning off carbon deposition in coke oven performed by Computational Fluid Dynamics (CFD) method has provided an evaluation of the feasibility study. A three-dimensional, transient, turbulent reacting flow simulation has performed with three different injecting air flow rate and another kind of injecting configuration. The result shows that injection higher air flow rate would effectively reduce the carbon deposits. In the meantime, the opened charging holes would suck extra oxygen from the atmosphere to participate in reactions. In term of coke oven operating limits, the wall temperatures are monitored to prevent over-heating of the adiabatic walls during the burn-off process.Keywords: coke oven, burning off, carbon deposits, carbon combustion, CFD
Procedia PDF Downloads 6915234 Design, Simulation and Fabrication of Electro-Magnetic Pulse Welding Coil and Initial Experimentation
Authors: Bharatkumar Doshi
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Electro-Magnetic Pulse Welding (EMPW) is a solid state welding process carried out at almost room temperature, in which joining is enabled by high impact velocity deformation. In this process, high voltage capacitor’s stored energy is discharged in an EM coil resulting in a damped, sinusoidal current with an amplitude of several hundred kiloamperes. Due to these transient magnetic fields of few tens of Tesla near the coil is generated. As the conductive (tube) part is positioned in this area, an opposing eddy current is induced in this part. Consequently, high Lorentz forces act on the part, leading to acceleration away from the coil. In case of a tube, it gets compressed under forming velocities of more than 300 meters per second. After passing the joining gap it collides with the second metallic joining rod, leading to the formation of a jet under appropriate collision conditions. Due to the prevailing high pressure, metallurgical bonding takes place. A characteristic feature is the wavy interface resulting from the heavy plastic deformations. In the process, the formation of intermetallic compounds which might deteriorate the weld strength can be avoided, even for metals with dissimilar thermal properties. In order to optimize the process parameters like current, voltage, inductance, coil dimensions, workpiece dimensions, air gap, impact velocity, effective plastic strain, shear stress acting in the welding zone/impact zone etc. are very critical and important to establish. These process parameters could be determined by simulation using Finite Element Methods (FEM) in which electromagnetic –structural couple field analysis is performed. The feasibility of welding could thus be investigated by varying the parameters in the simulation using COMSOL. Simulation results shall be applied in performing the preliminary experiments of welding the different alloy steel tubes and/or alloy steel to other materials. The single turn coil (S.S.304) with field shaper (copper) has been designed and manufactured. The preliminary experiments are performed using existing EMPW facility available Institute for Plasma Research, Gandhinagar, India. The experiments are performed at 22kV charged into 64µF capacitor bank and the energy is discharged into single turn EM coil. Welding of axi-symetric components such as aluminum tube and rod has been proven experimentally using EMPW techniques. In this paper EM coil design, manufacturing, Electromagnetic-structural FEM simulation of Magnetic Pulse Welding and preliminary experiment results is reported.Keywords: COMSOL, EMPW, FEM, Lorentz force
Procedia PDF Downloads 1835233 Combined Heat and Power Generation in Pressure Reduction City Gas Station (CGS)
Authors: Sadegh Torfi
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Realization of anticipated energy efficiency from recuperative run-around energy recovery (RER) systems requires identification of the system components influential parameters. Because simulation modeling is considered as an integral part of the design and economic evaluation of RER systems, it is essential to calibrate the developed models and validate the performance predictions by means of comparison with data from experimental measurements. Several theoretical and numerical analyses on RER systems by researchers have been done, but generally the effect of distance between hot and cold flow is ignored. The objective of this study is to develop a thermohydroulic model for a typical RER system that accounts for energy loss from the interconnecting piping and effects of interconnecting pipes length performance of run-around energy recovery systems. Numerical simulation shows that energy loss from the interconnecting piping is change linear with pipes length and if pipes are properly isolated, maximum reduction of effectiveness of RER systems is 2% in typical piping systems.Keywords: combined heat and power, heat recovery, effectiveness, CGS
Procedia PDF Downloads 1975232 Discrete State Prediction Algorithm Design with Self Performance Enhancement Capacity
Authors: Smail Tigani, Mohamed Ouzzif
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This work presents a discrete quantitative state prediction algorithm with intelligent behavior making it able to self-improve some performance aspects. The specificity of this algorithm is the capacity of self-rectification of the prediction strategy before the final decision. The auto-rectification mechanism is based on two parallel mathematical models. In one hand, the algorithm predicts the next state based on event transition matrix updated after each observation. In the other hand, the algorithm extracts its residues trend with a linear regression representing historical residues data-points in order to rectify the first decision if needs. For a normal distribution, the interactivity between the two models allows the algorithm to self-optimize its performance and then make better prediction. Designed key performance indicator, computed during a Monte Carlo simulation, shows the advantages of the proposed approach compared with traditional one.Keywords: discrete state, Markov Chains, linear regression, auto-adaptive systems, decision making, Monte Carlo Simulation
Procedia PDF Downloads 4975231 Simulation of a Cost Model Response Requests for Replication in Data Grid Environment
Authors: Kaddi Mohammed, A. Benatiallah, D. Benatiallah
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Data grid is a technology that has full emergence of new challenges, such as the heterogeneity and availability of various resources and geographically distributed, fast data access, minimizing latency and fault tolerance. Researchers interested in this technology address the problems of the various systems related to the industry such as task scheduling, load balancing and replication. The latter is an effective solution to achieve good performance in terms of data access and grid resources and better availability of data cost. In a system with duplication, a coherence protocol is used to impose some degree of synchronization between the various copies and impose some order on updates. In this project, we present an approach for placing replicas to minimize the cost of response of requests to read or write, and we implement our model in a simulation environment. The placement techniques are based on a cost model which depends on several factors, such as bandwidth, data size and storage nodes.Keywords: response time, query, consistency, bandwidth, storage capacity, CERN
Procedia PDF Downloads 2705230 Hierarchical Manganese and Nickel Selenide based Ultra-efficient Electrode Material for All-Solid-State Asymmetric Supercapacitors with Extended Energy Efficacy
Authors: Siddhant Srivastav, Soumyaranjan Mishra, Sumanta Kumar Meher
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Researchers are attempting to develop extremely efficient electrochemical energy storage technologies as a result of the phenomenal advancement of portable electronic devices. Because of their improved electrical conductivity and narrower band gap, transition metal selenide-based nanostructures have piqued the interest of many researchers in this field. Based on this concept, we present a simple anion exchange hydrothermal synthesis method for synthesizing manganese and nickel based selenide (Mn/NiSe2) nanostructure for use in all-solid-state asymmetric supercapacitors. According to the comprehensive physicochemical characterizations, the material has lowly crystalline properties, a distinct porous microstructure, and a significant bonding contact between the metal and the selenium. The electrochemical investigations of the Mn/NiSe2 electrode material revealed supercapacitive charge discharge properties, excellent electro-kinetic reversibility, and minimal charge transfer resistance (Rct). Furthermore, the all-solid-state asymmetric supercapacitor device assembled using Mn/NiSe2 as positive electrode, nitrogen doped reduced graphene oxide (N-rGO) as negative electrode, and PVA-KOH gel as electrolyte/separator exhibit good redox behaviour, excellent charge-discharge properties with negligible voltage (IR) drop, and lower impedance characteristics. The solid state asymmetric supercapacitor device (Mn/NiSe2||N-rGO) demonstrated the power density of ultra-capacitors and the energy density of rechargeable batteries. Conclusively, the Mn/NiSe2 has been proposed as a potential outstanding electrode material for the next generation of all-solid-state asymmetric supercapacitors.Keywords: anion exchange, asymmetric supercapacitor, supercapacitive charge-discharge, voltage drop
Procedia PDF Downloads 1045229 Low-Temperature Poly-Si Nanowire Junctionless Thin Film Transistors with Nickel Silicide
Authors: Yu-Hsien Lin, Yu-Ru Lin, Yung-Chun Wu
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This work demonstrates the ultra-thin poly-Si (polycrystalline Silicon) nanowire junctionless thin film transistors (NWs JL-TFT) with nickel silicide contact. For nickel silicide film, this work designs to use two-step annealing to form ultra-thin, uniform and low sheet resistance (Rs) Ni silicide film. The NWs JL-TFT with nickel silicide contact exhibits the good electrical properties, including high driving current (>10⁷ Å), subthreshold slope (186 mV/dec.), and low parasitic resistance. In addition, this work also compares the electrical characteristics of NWs JL-TFT with nickel silicide and non-silicide contact. Nickel silicide techniques are widely used for high-performance devices as the device scaling due to the source/drain sheet resistance issue. Therefore, the self-aligned silicide (salicide) technique is presented to reduce the series resistance of the device. Nickel silicide has several advantages including low-temperature process, low silicon consumption, no bridging failure property, smaller mechanical stress, and smaller contact resistance. The junctionless thin-film transistor (JL-TFT) is fabricated simply by heavily doping the channel and source/drain (S/D) regions simultaneously. Owing to the special doping profile, JL-TFT has some advantages such as lower thermal the budget which can integrate with high-k/metal-gate easier than conventional MOSFETs (Metal Oxide Semiconductor Field-Effect Transistors), longer effective channel length than conventional MOSFETs, and avoidance of complicated source/drain engineering. To solve JL-TFT has turn-off problem, JL-TFT needs ultra-thin body (UTB) structure to reach fully depleted channel region in off-state. On the other hand, the drive current (Iᴅ) is declined as transistor features are scaled. Therefore, this work demonstrates ultra thin poly-Si nanowire junctionless thin film transistors with nickel silicide contact. This work investigates the low-temperature formation of nickel silicide layer by physical-chemical deposition (PVD) of a 15nm Ni layer on the poly-Si substrate. Notably, this work designs to use two-step annealing to form ultrathin, uniform and low sheet resistance (Rs) Ni silicide film. The first step was promoted Ni diffusion through a thin interfacial amorphous layer. Then, the unreacted metal was lifted off after the first step. The second step was annealing for lower sheet resistance and firmly merged the phase.The ultra-thin poly-Si nanowire junctionless thin film transistors NWs JL-TFT with nickel silicide contact is demonstrated, which reveals high driving current (>10⁷ Å), subthreshold slope (186 mV/dec.), and low parasitic resistance. In silicide film analysis, the second step of annealing was applied to form lower sheet resistance and firmly merge the phase silicide film. In short, the NWs JL-TFT with nickel silicide contact has exhibited a competitive short-channel behavior and improved drive current.Keywords: poly-Si, nanowire, junctionless, thin-film transistors, nickel silicide
Procedia PDF Downloads 2355228 Investigation on Mesh Sensitivity of a Transient Model for Nozzle Clogging
Authors: H. Barati, M. Wu, A. Kharicha, A. Ludwig
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A transient model for nozzle clogging has been developed and successfully validated against a laboratory experiment. Key steps of clogging are considered: transport of particles by turbulent flow towards the nozzle wall; interactions between fluid flow and nozzle wall, and the adhesion of the particle on the wall; the growth of the clog layer and its interaction with the flow. The current paper is to investigate the mesh (size and type) sensitivity of the model in both two and three dimensions. It is found that the algorithm for clog growth alone excluding the flow effect is insensitive to the mesh type and size, but the calculation including flow becomes sensitive to the mesh quality. The use of 2D meshes leads to overestimation of the clog growth because the 3D nature of flow in the boundary layer cannot be properly solved by 2D calculation. 3D simulation with tetrahedron mesh can also lead to an error estimation of the clog growth. A mesh-independent result can be achieved with hexahedral mesh, or at least with triangular prism (inflation layer) for near-wall regions.Keywords: clogging, continuous casting, inclusion, simulation, submerged entry nozzle
Procedia PDF Downloads 2825227 Simulation and Analysis of Different Parameters in Hydraulic Circuit Due to Leakage
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Leakage is the main gradual failure in the fluid power system, which is usually caused by the impurity in the oil and wear of matching surfaces between parts and lead to the change of the gap value. When leakage occurs in the system, the oil will flow from the high pressure chamber into the low pressure chamber through the gap, causing the reduction of system flow as well as the loss of system pressure, resulting in the decreasing of system efficiency. In the fluid power system, internal leakage may occur in various components such as gear pump, reversing valve and hydraulic cylinder, and affect the system work performance. Therefore, component leakage in the fluid power system is selected as the study to characterize the leakage and the effect of leakage on the system. Effect of leakage on system pressure and cylinder displacement can be obtained using pressure sensors and the displacement sensor. The leakage can be varied by changing the orifice using a flow control valve. Hydraulic circuit for leakage will be developed in Matlab/Simulink environment and simulations will be done by changing different parameters.Keywords: leakage causes, effect, analysis, MATLAB simulation, hydraulic circuit
Procedia PDF Downloads 3975226 GIS for Simulating Air Traffic by Applying Different Multi-radar Positioning Techniques
Authors: Amara Rafik, Bougherara Maamar, Belhadj Aissa Mostefa
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Radar data is one of the many data sources used by ATM Air Traffic Management systems. These data come from air navigation radar antennas. These radars intercept signals emitted by the various aircraft crossing the controlled airspace and calculate the position of these aircraft and retransmit their positions to the Air Traffic Management System. For greater reliability, these radars are positioned in such a way as to allow their coverage areas to overlap. An aircraft will therefore be detected by at least one of these radars. However, the position coordinates of the same aircraft and sent by these different radars are not necessarily identical. Therefore, the ATM system must calculate a single position (radar track) which will ultimately be sent to the control position and displayed on the air traffic controller's monitor. There are several techniques for calculating the radar track. Furthermore, the geographical nature of the problem requires the use of a Geographic Information System (GIS), i.e. a geographical database on the one hand and geographical processing. The objective of this work is to propose a GIS for traffic simulation which reconstructs the evolution over time of aircraft positions from a multi-source radar data set and by applying these different techniques.Keywords: ATM, GIS, radar data, air traffic simulation
Procedia PDF Downloads 845225 Control of Stability for PV and Battery Hybrid System in Partial Shading
Authors: Weiying Wang, Qi Li, Huiwen Deng, Weirong Chen
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The abrupt light change and uneven illumination will make the PV system get rid of constant output power, which will affect the efficiency of the grid connected inverter as well as the stability of the system. To solve this problem, this paper presents a strategy to control the stability of photovoltaic power system under the condition of partial shading of PV array, leading to constant power output, improving the capacity of resisting interferences. Firstly, a photovoltaic cell model considering the partial shading is established, and the backtracking search algorithm is used as the maximum power point to track algorithm under complex illumination. Then, the energy storage system based on the constant power control strategy is used to achieve constant power output. Finally, the effectiveness and correctness of the proposed control method are verified by the joint simulation of MATLAB/Simulink and RTLAB simulation platform.Keywords: backtracking search algorithm, constant power control, hybrid system, partial shading, stability
Procedia PDF Downloads 2965224 Optimum Dewatering Network Design Using Firefly Optimization Algorithm
Authors: S. M. Javad Davoodi, Mojtaba Shourian
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Groundwater table close to the ground surface causes major problems in construction and mining operation. One of the methods to control groundwater in such cases is using pumping wells. These pumping wells remove excess water from the site project and lower the water table to a desirable value. Although the efficiency of this method is acceptable, it needs high expenses to apply. It means even small improvement in a design of pumping wells can lead to substantial cost savings. In order to minimize the total cost in the method of pumping wells, a simulation-optimization approach is applied. The proposed model integrates MODFLOW as the simulation model with Firefly as the optimization algorithm. In fact, MODFLOW computes the drawdown due to pumping in an aquifer and the Firefly algorithm defines the optimum value of design parameters which are numbers, pumping rates and layout of the designing wells. The developed Firefly-MODFLOW model is applied to minimize the cost of the dewatering project for the ancient mosque of Kerman city in Iran. Repetitive runs of the Firefly-MODFLOW model indicates that drilling two wells with the total rate of pumping 5503 m3/day is the result of the minimization problem. Results show that implementing the proposed solution leads to at least 1.5 m drawdown in the aquifer beneath mosque region. Also, the subsidence due to groundwater depletion is less than 80 mm. Sensitivity analyses indicate that desirable groundwater depletion has an enormous impact on total cost of the project. Besides, in a hypothetical aquifer decreasing the hydraulic conductivity contributes to decrease in total water extraction for dewatering.Keywords: groundwater dewatering, pumping wells, simulation-optimization, MODFLOW, firefly algorithm
Procedia PDF Downloads 2935223 Comparison of Heuristic Methods for Solving Traveling Salesman Problem
Authors: Regita P. Permata, Ulfa S. Nuraini
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Traveling Salesman Problem (TSP) is the most studied problem in combinatorial optimization. In simple language, TSP can be described as a problem of finding a minimum distance tour to a city, starting and ending in the same city, and exactly visiting another city. In product distribution, companies often get problems in determining the minimum distance that affects the time allocation. In this research, we aim to apply TSP heuristic methods to simulate nodes as city coordinates in product distribution. The heuristics used are sub tour reversal, nearest neighbor, farthest insertion, cheapest insertion, nearest insertion, and arbitrary insertion. We have done simulation nodes using Euclidean distances to compare the number of cities and processing time, thus we get optimum heuristic method. The results show that the optimum heuristic methods are farthest insertion and nearest insertion. These two methods can be recommended to solve product distribution problems in certain companies.Keywords: Euclidean, heuristics, simulation, TSP
Procedia PDF Downloads 1255222 Flow Sheet Development and Simulation of a Bio-refinery Annexed to Typical South African Sugar Mill
Authors: M. Ali Mandegari, S. Farzad, J. F. Görgens
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Sugar is one of the main agricultural industries in South Africa and approximately livelihoods of one million South Africans are indirectly dependent on sugar industry which is economically struggling with some problems and should re-invent in order to ensure a long-term sustainability. Second generation bio-refinery is defined as a process to use waste fibrous for the production of bio-fuel, chemicals animal food, and electricity. Bio-ethanol is by far the most widely used bio-fuel for transportation worldwide and many challenges in front of bio-ethanol production were solved. Bio-refinery annexed to the existing sugar mill for production of bio-ethanol and electricity is proposed to sugar industry and is addressed in this study. Since flow-sheet development is the key element of the bio-ethanol process, in this work, a bio-refinery (bio-ethanol and electricity production) annexed to a typical South African sugar mill considering 65ton/h dry sugarcane bagasse and tops/trash as feedstock was simulated. Aspen PlusTM V8.6 was applied as simulator and realistic simulation development approach was followed to reflect the practical behavior of the plant. Latest results of other researches considering pretreatment, hydrolysis, fermentation, enzyme production, bio-ethanol production and other supplementary units such as evaporation, water treatment, boiler, and steam/electricity generation units were adopted to establish a comprehensive bio-refinery simulation. Steam explosion with SO2 was selected for pretreatment due to minimum inhibitor production and simultaneous saccharification and fermentation (SSF) configuration was adopted for enzymatic hydrolysis and fermentation of cellulose and hydrolyze. Bio-ethanol purification was simulated by two distillation columns with side stream and fuel grade bio-ethanol (99.5%) was achieved using molecular sieve in order to minimize the capital and operating costs. Also boiler and steam/power generation were completed using industrial design data. Results indicates 256.6 kg bio ethanol per ton of feedstock and 31 MW surplus power were attained from bio-refinery while the process consumes 3.5, 3.38, and 0.164 (GJ/ton per ton of feedstock) hot utility, cold utility and electricity respectively. Developed simulation is a threshold of variety analyses and developments for further studies.Keywords: bio-refinery, bagasse, tops, trash, bio-ethanol, electricity
Procedia PDF Downloads 5315221 Numerical Simulation of Wishart Diffusion Processes
Authors: Raphael Naryongo, Philip Ngare, Anthony Waititu
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This paper deals with numerical simulation of Wishart processes for a single asset risky pricing model whose volatility is described by Wishart affine diffusion processes. The multi-factor specification of volatility will make the model more flexible enough to fit the stock market data for short or long maturities for better returns. The Wishart process is a stochastic process which is a positive semi-definite matrix-valued generalization of the square root process. The aim of the study is to model the log asset stock returns under the double Wishart stochastic volatility model. The solution of the log-asset return dynamics for Bi-Wishart processes will be obtained through Euler-Maruyama discretization schemes. The numerical results on the asset returns are compared to the existing models returns such as Heston stochastic volatility model and double Heston stochastic volatility modelKeywords: euler schemes, log-asset return, infinitesimal generator, wishart diffusion affine processes
Procedia PDF Downloads 3765220 2D and 3D Unsteady Simulation of the Heat Transfer in the Sample during Heat Treatment by Moving Heat Source
Authors: Zdeněk Veselý, Milan Honner, Jiří Mach
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The aim of the performed work is to establish the 2D and 3D model of direct unsteady task of sample heat treatment by moving source employing computer model on the basis of finite element method. The complex boundary condition on heat loaded sample surface is the essential feature of the task. Computer model describes heat treatment of the sample during heat source movement over the sample surface. It is started from the 2D task of sample cross section as a basic model. Possibilities of extension from 2D to 3D task are discussed. The effect of the addition of third model dimension on the temperature distribution in the sample is showed. Comparison of various model parameters on the sample temperatures is observed. Influence of heat source motion on the depth of material heat treatment is shown for several velocities of the movement. Presented computer model is prepared for the utilization in laser treatment of machine parts.Keywords: computer simulation, unsteady model, heat treatment, complex boundary condition, moving heat source
Procedia PDF Downloads 3925219 Hydraulic Analysis of Irrigation Approach Channel Using HEC-RAS Model
Authors: Muluegziabher Semagne Mekonnen
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This study was intended to show the irrigation water requirements and evaluation of canal hydraulics steady state conditions to improve on scheme performance of the Meki-Ziway irrigation project. The methodology used was the CROPWAT 8.0 model to estimate the irrigation water requirements of five major crops irrigated in the study area. The results showed that for the whole existing and potential irrigation development area of 2000 ha and 2599 ha, crop water requirements were 3,339,200 and 4,339,090.4 m³, respectively. Hydraulic simulation models are fundamental tools for understanding the hydraulic flow characteristics of irrigation systems. Hydraulic simulation models are fundamental tools for understanding the hydraulic flow characteristics of irrigation systems. In this study Hydraulic Analysis of Irrigation Canals Using HEC-RAS Model was conducted in Meki-Ziway Irrigation Scheme. The HEC-RAS model was tested in terms of error estimation and used to determine canal capacity potential.Keywords: HEC-RAS, irrigation, hydraulic. canal reach, capacity
Procedia PDF Downloads 585218 Photocatalytic Properties of Pt/Er-KTaO3
Authors: Anna Krukowska, Tomasz Klimczuk, Adriana Zaleska-Medynska
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Photoactive materials have attracted attention due to their potential application in the degradation of environmental pollutants to non-hazardous compounds in an eco-friendly route. Among semiconductor photocatalysts, tantalates such as potassium tantalate (KTaO3) is one of the excellent functional photomaterial. However, tantalates-based materials are less active under visible-light irradiation, the enhancement in photoactivity could be improved with the modification of opto-eletronic properties of KTaO3 by doping rare earth metal (Er) and further photodeposition of noble metal nanoparticles (Pt). Inclusion of rare earth element in orthorhombic structure of tantalate can generate one high-energy photon by absorbing two or more incident low-energy photons, which convert visible-light and infrared-light into the ultraviolet-light to satisfy the requirement of KTaO3 photocatalysts. On the other hand, depositions of noble metal nanoparticles on the surface of semiconductor strongly absorb visible-light due to their surface plasmon resonance, in which their conducting electrons undergo a collective oscillation induced by electric field of visible-light. Furthermore, the high dispersion of Pt nanoparticles, which will be obtained by photodeposition process is additional important factor to improve the photocatalytic activity. The present work is aimed to study the effect of photocatalytic process of the prepared Er-doped KTaO3 and further incorporation of Pt nanoparticles by photodeposition. Moreover, the research is also studied correlations between photocatalytic activity and physico-chemical properties of obtained Pt/Er-KTaO3 samples. The Er-doped KTaO3 microcomposites were synthesized by a hydrothermal method. Then photodeposition method was used for Pt loading over Er-KTaO3. The structural and optical properties of Pt/Er-KTaO3 photocatalytic were characterized using scanning electron microscope (SEM), X-ray diffraction (XRD), volumetric adsorption method (BET), UV-Vis absorption measurement, Raman spectroscopy and luminescence spectroscopy. The photocatalytic properties of Pt/Er-KTaO3 microcomposites were investigated by degradation of phenol in aqueous phase as model pollutant under visible and ultraviolet-light irradiation. Results of this work show that all the prepared photocatalysis exhibit low BET surface area, although doping of the bare KTaO3 with rare earth element (Er) presents a slight increase in this value. The crystalline structure of Pt/Er-KTaO3 powders exhibited nearly identical positions for the main peak at about 22,8o and the XRD pattern could be assigned to an orthorhombic distorted perovskite structure. The Raman spectra of obtained semiconductors confirmed demonstrating perovskite-like structure. The optical absorption spectra of Pt nanoparticles exhibited plasmon absorption band for main peaks at about 216 and 264 nm. The addition of Pt nanoparticles increased photoactivity compared to Er-KTaO3 and pure KTaO3. Summary optical properties of KTaO3 change with its doping Er-element and further photodeposition of Pt nanoparticles.Keywords: heterogeneous photocatalytic, KTaO3 photocatalysts, Er3+ ion doping, Pt photodeposition
Procedia PDF Downloads 3595217 Modeling and Simulation Analysis and Design of Components of the Microgrid Prototype System
Authors: Draou Azeddine, Mazin Alahmadi, Abdulrahmane Alkassem, Alamri Abdullah
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The demand for electric power in Saudi Arabia is steadily increasing with economic growth. More power plants should be installed to increase generation capacity and meet demand. Electricity in Saudi Arabia is mainly dependent on fossil fuels, which are a major problem as they deplete natural resources and increase CO₂ emissions. In this research work, performance and techno-economic analyzes are conducted to evaluate a microgrid system based on hybrid PV/wind diesel power sources as a stand-alone system for rural electrification in Saudi Arabia. The total power flow, maximum power point tracking (MPPT) efficiency, effectiveness of the proposed control strategy, and total harmonic distortion (THD) are analyzed in MATLAB/Simulink environment. Various simulation studies have been carried out under different irradiation conditions. The sizing, optimization, and economic feasibility analysis were performed using Homer energy software.Keywords: WIND, solar, microgrid, energy
Procedia PDF Downloads 1075216 A Fourier Method for Risk Quantification and Allocation of Credit Portfolios
Authors: Xiaoyu Shen, Fang Fang, Chujun Qiu
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Herewith we present a Fourier method for credit risk quantification and allocation in the factor-copula model framework. The key insight is that, compared to directly computing the cumulative distribution function of the portfolio loss via Monte Carlo simulation, it is, in fact, more efficient to calculate the transformation of the distribution function in the Fourier domain instead and inverting back to the real domain can be done in just one step and semi-analytically, thanks to the popular COS method (with some adjustments). We also show that the Euler risk allocation problem can be solved in the same way since it can be transformed into the problem of evaluating a conditional cumulative distribution function. Once the conditional or unconditional cumulative distribution function is known, one can easily calculate various risk metrics. The proposed method not only fills the niche in literature, to the best of our knowledge, of accurate numerical methods for risk allocation but may also serve as a much faster alternative to the Monte Carlo simulation method for risk quantification in general. It can cope with various factor-copula model choices, which we demonstrate via examples of a two-factor Gaussian copula and a two-factor Gaussian-t hybrid copula. The fast error convergence is proved mathematically and then verified by numerical experiments, in which Value-at-Risk, Expected Shortfall, and conditional Expected Shortfall are taken as examples of commonly used risk metrics. The calculation speed and accuracy are tested to be significantly superior to the MC simulation for real-sized portfolios. The computational complexity is, by design, primarily driven by the number of factors instead of the number of obligors, as in the case of Monte Carlo simulation. The limitation of this method lies in the "curse of dimension" that is intrinsic to multi-dimensional numerical integration, which, however, can be relaxed with the help of dimension reduction techniques and/or parallel computing, as we will demonstrate in a separate paper. The potential application of this method has a wide range: from credit derivatives pricing to economic capital calculation of the banking book, default risk charge and incremental risk charge computation of the trading book, and even to other risk types than credit risk.Keywords: credit portfolio, risk allocation, factor copula model, the COS method, Fourier method
Procedia PDF Downloads 1665215 A Parasitic Resonator-Based Diamond Shape Microstrip Antenna for Ultra-Wide-Band Applications
Authors: M. Zulfiker Mahmud, M. Naimur Rahman, Farhad Bin Ashraf, Norbahiah Misran, Mohammad Tariqul Islam
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This study proposes a diamond-shaped microstrip patch antenna for ultra-wideband applications. The antenna is made up of a diamond shape radiating patch, partial ground plane, and three asterisk-shaped parasitic elements. The parasitic elements are positioned above the ground plane to enhance the bandwidth and gain. The proposed antenna has a compact dimension of 30 x 25 x 1.6 mm3 and achieves an overall bandwidth (S11<-10dB) is 5.8 GHz from 2.7 GHz to 8.5 GHz. The antenna attains more than 4 dBi realized the gain and 80% efficiency over the bandwidth with omnidirectional radiation pattern. The design and simulation of the proposed antenna are performed in Computer Simulation Technology (CST) Microwave Studio. The observation during the analysis of the simulated data reveals that the proposed antenna is suitable for Ultra wide-band (UWB) applications where high gain is required.Keywords: diamond-shaped antenna, microstrip antenna, parasitic resonator, UWB applications
Procedia PDF Downloads 2215214 Smart Production Planning: The Case of Aluminium Foundry
Authors: Samira Alvandi
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In the context of the circular economy, production planning aims to eliminate waste and emissions and maximize resource efficiency. Historically production planning is challenged through arrays of uncertainty and complexity arising from the interdependence and variability of products, processes, and systems. Manufacturers worldwide are facing new challenges in tackling various environmental issues such as climate change, resource depletion, and land degradation. In managing the inherited complexity and uncertainty and yet maintaining profitability, the manufacturing sector is in need of a holistic framework that supports energy efficiency and carbon emission reduction schemes. The proposed framework addresses the current challenges and integrates simulation modeling with optimization for finding optimal machine-job allocation to maximize throughput and total energy consumption while minimizing lead time. The aluminium refinery facility in western Sydney, Australia, is used as an exemplar to validate the proposed framework.Keywords: smart production planning, simulation-optimisation, energy aware capacity planning, energy intensive industries
Procedia PDF Downloads 765213 Adsorption of NO and NH3 in MFI and H-ZSM5: Monte Carlo Simulation
Authors: Z. Jamalzadeh, A. Niaei, H. Erfannia
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Due to developing industries, the emission of pollutants such as NOx, SOx, and CO2 are rapidly increased. Generally, NOx is attributed to the mono nitrogen oxides of NO and NO2 that is one of the most important atmospheric contaminants. Hence, controlling the emission of nitrogen oxides is environmentally urgent. Selective catalytic reduction of NOx is one of the most common techniques for NOx removal in which zeolites have wide application due to their high performance. In zeolitic processes, the catalytic reaction occurs mostly in the pores. Therefore, investigation of the adsorption phenomena of the molecules in order to gain an insight and understand the catalytic cycle is of important. Hence, in current study, benefiting from molecular simulations, the adsorption phenomena in the nanocatalysts of SCR of NOx process was investigated in order to get a good insight of the catalysts’ behavior. The effect of cation addition to the support in the catalysts’ behavior through adsorption step was explored by Mont Carlo (MC) using Materials Studio Package. Simulation time of 1 Ns accompanying 1 fs time step, COMPASS27 Force Field and the cut off radios of 12.5 Ȧ was applied for performed runs. It was observed that the adsorption capacity increases in the presence of cations. The sorption isotherms demonstrated the behavior of type I isotherm categories and sorption capacity diminished with increase in temperature whereas an increase was observed at high pressures. Besides, NO sorption showed higher sorption capacity than NH3 in H–ZSM5. In this respect, the energy distributions signified that the molecules could adsorb in just one sorption site at the catalyst and the sorption energy of NO was stronger than the NH3 in H-ZSM5. Furthermore, the isosteric heat of sorption data showed nearly same values for the molecules; however, it indicated stronger interactions of NO molecules with H-ZSM5 zeolite compared to the isosteric heat of NH3 which was low in value.Keywords: Monte Carlo simulation, adsorption, NOx, ZSM5
Procedia PDF Downloads 3575212 New Insight into Fluid Mechanics of Lorenz Equations
Authors: Yu-Kai Ting, Jia-Ying Tu, Chung-Chun Hsiao
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New physical insights into the nonlinear Lorenz equations related to flow resistance is discussed in this work. The chaotic dynamics related to Lorenz equations has been studied in many papers, which is due to the sensitivity of Lorenz equations to initial conditions and parameter uncertainties. However, the physical implication arising from Lorenz equations about convectional motion attracts little attention in the relevant literature. Therefore, as a first step to understand the related fluid mechanics of convectional motion, this paper derives the Lorenz equations again with different forced conditions in the model. Simulation work of the modified Lorenz equations without the viscosity or buoyancy force is discussed. The time-domain simulation results may imply that the states of the Lorenz equations are related to certain flow speed and flow resistance. The flow speed of the underlying fluid system increases as the flow resistance reduces. This observation would be helpful to analyze the coupling effects of different fluid parameters in a convectional model in future work.Keywords: Galerkin method, Lorenz equations, Navier-Stokes equations, convectional motion
Procedia PDF Downloads 3915211 Computational Fluid Dynamics Simulation on Heat Transfer of Hot Air Bubble Injection into Water Column
Authors: Jae-Yeong Choi, Gyu-Mok Jeon, Jong-Chun Park, Yong-Jin Cho, Seok-Tae Yoon
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When air flow is injected into water, bubbles are formed in various types inside the water pool along with the air flow rate. The bubbles are floated in equilibrium with forces such as buoyancy, surface tension and shear force. Single bubble generated at low flow rate maintains shape, but bubbles with high flow rate break up to make mixing and turbulence. In addition to this phenomenon, as the hot air bubbles are injected into the water, heat affects the interface of phases. Therefore, the main scope of the present work reveals how to proceed heat transfer between water and hot air bubbles injected into water. In the present study, a series of CFD simulation for the heat transfer of hot bubbles injected through a nozzle near the bottom in a cylindrical water column are performed using a commercial CFD software, STAR-CCM+. The governing equations for incompressible and viscous flow are the continuous and the RaNS (Reynolds- averaged Navier-Stokes) equations and discretized by the FVM (Finite Volume Method) manner. For solving multi-phase flow, the Eulerian multiphase model is employed and the interface is defined by VOF (Volume-of-Fluid) technique. As a turbulence model, the SST k-w model considering the buoyancy effects is introduced. For spatial differencing the 3th-order MUSCL scheme is adopted and the 2nd-order implicit scheme for time integration. As the results, the dynamic behavior of the rising hot bubbles with the flow rate injected and regarding heat transfer mechanism are discussed based on the simulation results.Keywords: heat transfer, hot bubble injection, eulerian multiphase model, flow rate, CFD (Computational Fluid Dynamics)
Procedia PDF Downloads 1515210 Analysis of Rainfall Hazard in North East of Algeria
Authors: Imene Skhakhfa, Lahbaci Ouerdachi
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The design of sewerage systems is directly related to rainfall, which has a highly random character. Showers are usually described by three characteristics: intensity, volume and duration. Several studies considered only in two of the three models. The objective of our work is to perform an analysis of the impact of three variables on put in charge of sewerage system, responsible for misbehavior, origin of urban flooding. 30 events were considered events for the longest, most rushed and most intense period which runs from 1986 -2001. We built the IDF curves and heavy projects double symmetrical triangles associated with this selection. A simulation of the operation, with the model canoe, sewage from the city of Annaba (Algeria) in the three rain solicitation project, double triangles associated with events considered. It appears that the sewage of the city of Annaba, in terms of charging, is much more sensitive to rain most precipitous, and the more intense causing loadings and last the longest. Further analysis of all the rain and the field measurements are underway to confirm the test simulations.Keywords: intensity, volume, duration, sewerage, design, simulation
Procedia PDF Downloads 443